1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine

C16H29N5 — CID 115939557

IUPAC1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H29N5/c1-4-15(17)16-6-5-14(13-18-16)21-11-9-20(10-12-21)8-7-19(2)3/h5-6,13,15H,4,7-12,17H2,1-3H3
InChIKeyDTHNZMPQBRHEIQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.17
Rot. Bonds6

About 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine

1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine (PubChem CID 115939557) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
PubChem CID115939557
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H29N5/c1-4-15(17)16-6-5-14(13-18-16)21-11-9-20(10-12-21)8-7-19(2)3/h5-6,13,15H,4,7-12,17H2,1-3H3
InChIKeyDTHNZMPQBRHEIQ-UHFFFAOYSA-N
XLogP1.17
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2'-Bipyridine
CID 1474
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
3-Aminopyridine
CID 10009
2-Pyridinemethanamine
CID 19509
2-Butylpyridine
CID 78750
Bis(2-pyridylmethyl)amine
CID 73759
2-Hexylpyridine
CID 70797
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
Betahistine Hydrochloride
CID 68643

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine (CID 115939557) is 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCN(CCN(C)C)CC2)cn1.
What is the InChIKey of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is DTHNZMPQBRHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-15(17)16-6-5-14(13-18-16)21-11-9-20(10-12-21)8-7-19(2)3/h5-6,13,15H,4,7-12,17H2,1-3H3.
What are the key properties of 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine?
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).